Geometry & MOs

Info

ID:	4701
PubChem CID:	11888
Reduced:	NOH3C4 (2)
Stoich.:	ABC3D4 (2)
Weight, g/mol:	162.042927
ΔH_f, kcal/mol:	45.4
Dipole, Da:	5.12
IP(EA), eV:	-10.69(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-nitrophenyl)acetonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC#N)[N+](=O)[O-]

DOS

IR

Vibrations